(2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole

C28H24N6O4S — CID 59242705

IUPAC(2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCN(C)S(=O)(=O)N[C@@H]1Cc2c(n(Cc3cccnc3N3C(=O)c4ccccc4C3=O)c3ccc(C#N)cc23)C1
InChIInChI=1S/C28H24N6O4S/c1-32(2)39(37,38)31-19-13-23-22-12-17(15-29)9-10-24(22)33(25(23)14-19)16-18-6-5-11-30-26(18)34-27(35)20-7-3-4-8-21(20)28(34)36/h3-12,19,31H,13-14,16H2,1-2H3/t19-/m1/s1
InChIKeyZSPJEGPBSALMHQ-LJQANCHMSA-N
MW540.61 g/mol
LogP2.62
Rot. Bonds6

About (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole

(2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole (PubChem CID 59242705) has the molecular formula C28H24N6O4S and a molecular weight of 540.61 g/mol. Its IUPAC name is (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name(2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole
PubChem CID59242705
Molecular FormulaC28H24N6O4S
Molecular Weight540.61 g/mol
Exact Mass540.16
IUPAC Name(2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCN(C)S(=O)(=O)N[C@@H]1Cc2c(n(Cc3cccnc3N3C(=O)c4ccccc4C3=O)c3ccc(C#N)cc23)C1
InChIInChI=1S/C28H24N6O4S/c1-32(2)39(37,38)31-19-13-23-22-12-17(15-29)9-10-24(22)33(25(23)14-19)16-18-6-5-11-30-26(18)34-27(35)20-7-3-4-8-21(20)28(34)36/h3-12,19,31H,13-14,16H2,1-2H3/t19-/m1/s1
InChIKeyZSPJEGPBSALMHQ-LJQANCHMSA-N
XLogP2.62
TPSA128.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.61
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-[7-cyano-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 67251093
[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid
CID 150832588
ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
CID 142352015
2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 59242706
propan-2-yl N-[4-[(3-bromo-4-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 66933640
propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate
CID 156811582
propan-2-yl 2-[(2S)-7-cyano-4-[(3-methoxy-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]acetate
CID 58149406
N-[6-cyano-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 67200866
molecular iodine;propan-2-yl N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate;propan-2-yl N-[(2S)-7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]carbamate;pyridin-2-ylmethanol;triiodide
CID 160968572
(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
CID 59242717
[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid
CID 68533390
2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
CID 110352273

Frequently Asked Questions

What is the IUPAC name of (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole (CID 59242705) is (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole is CN(C)S(=O)(=O)N[C@@H]1Cc2c(n(Cc3cccnc3N3C(=O)c4ccccc4C3=O)c3ccc(C#N)cc23)C1.
What is the InChIKey of (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole?
The InChIKey is ZSPJEGPBSALMHQ-LJQANCHMSA-N. The full InChI is InChI=1S/C28H24N6O4S/c1-32(2)39(37,38)31-19-13-23-22-12-17(15-29)9-10-24(22)33(25(23)14-19)16-18-6-5-11-30-26(18)34-27(35)20-7-3-4-8-21(20)28(34)36/h3-12,19,31H,13-14,16H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole?
(2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole has a molecular weight of 540.61 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 59242705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).